N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide

C15H25N5O5S3 — CID 90533073

IUPACN-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CCc2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2C1
InChIInChI=1S/C15H25N5O5S3/c1-18(2)28(24,25)20-9-6-12-13(10-20)26-15(16-12)17-14(21)11-4-7-19(8-5-11)27(3,22)23/h11H,4-10H2,1-3H3,(H,16,17,21)
InChIKeyUDMPXXUDPRJRBM-UHFFFAOYSA-N
MW451.60 g/mol
LogP-0.08
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 90533073) has the molecular formula C15H25N5O5S3 and a molecular weight of 451.60 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID90533073
Molecular FormulaC15H25N5O5S3
Molecular Weight451.60 g/mol
Exact Mass451.10
IUPAC NameN-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CCc2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2C1
InChIInChI=1S/C15H25N5O5S3/c1-18(2)28(24,25)20-9-6-12-13(10-20)26-15(16-12)17-14(21)11-4-7-19(8-5-11)27(3,22)23/h11H,4-10H2,1-3H3,(H,16,17,21)
InChIKeyUDMPXXUDPRJRBM-UHFFFAOYSA-N
XLogP-0.08
TPSA119.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methylsulfonyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide
CID 90532801
3-cyclopentyl-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]propanamide
CID 90532956
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90533052
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-methylbenzamide
CID 90532967
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-4-carboxamide
CID 90533083
4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 90532994
5-chloro-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90533102
1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90533144
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 90533054
4-cyano-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 90533092
N-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531483
1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(2-methoxyphenyl)urea
CID 90533125

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 90533073) is N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide is CN(C)S(=O)(=O)N1CCc2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2C1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is UDMPXXUDPRJRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O5S3/c1-18(2)28(24,25)20-9-6-12-13(10-20)26-15(16-12)17-14(21)11-4-7-19(8-5-11)27(3,22)23/h11H,4-10H2,1-3H3,(H,16,17,21).
What are the key properties of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 451.60 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 90533073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).